3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide

C15H31N3O2 — CID 63853747

IUPAC3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCNCC1CCCCN1CCC(=O)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-13(2)17-15(19)7-10-18-9-5-4-6-14(18)12-16-8-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyMQEKXYWGYIDPAP-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

About 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide

3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 63853747) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID63853747
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCNCC1CCCCN1CCC(=O)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-13(2)17-15(19)7-10-18-9-5-4-6-14(18)12-16-8-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyMQEKXYWGYIDPAP-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(aminomethyl)azepan-1-yl]-N-propan-2-ylpropanamide
CID 116640520
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63855313
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 63853034

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide (CID 63853747) is 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide is COCCNCC1CCCCN1CCC(=O)NC(C)C.
What is the InChIKey of 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is MQEKXYWGYIDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)17-15(19)7-10-18-9-5-4-6-14(18)12-16-8-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide?
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63853747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).